methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCSC)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CCSC)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O6S/c1-11-12(23-19(26)29-20(2,3)4)7-8-13-15(11)17(25)28-18(21-13)22-14(9-10-30-6)16(24)27-5/h7-8,14H,9-10H2,1-6H3,(H,21,22)(H,23,26)/t14-/m0/s1